(E,4S)-5-ethoxy-4-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-5-oxidanylidene-pent-2-enoic acid

Systemtic Name: (E,4S)-5-ethoxy-4-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-5-oxidanylidene-pent-2-enoic acid Openeye Name: (E,4S)-5-ethoxy-4-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-5-oxo-pent-2-enoic acid CAS Name: (E,4S)-5-ethoxy-4-[(4-methoxyphenyl)methylthio]-2,4-dimethyl-5-oxo-2-pentenoic acid IUPAC Name: (E,4S)-5-ethoxy-4-[(4-methoxyphenyl)methylsulfanyl]-2,4-dimethyl-5-oxopent-2-enoic acid Traditional Name: (E,4S)-5-ethoxy-5-keto-2,4-dimethyl-4-(p-anisylthio)pent-2-enoic acid Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C=C(C)C(=O)O)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CCOC(=O)[C@](C)(/C=C(\C)/C(=O)O)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C17H22O5S/c1-5-22-16(20)17(3,10-12(2)15(18)19)23-11-13-6-8-14(21-4)9-7-13/h6-10H,5,11H2,1-4H3,(H,18,19)/b12-10+/t17-/m0/s1